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100859-81-2,MFCD01353566
Catalog No.:AA0002Y8
100859-81-2 | N-(tert-Butyl)-3-chloropropanamide
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Purity
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Price(USD)
Quantity
  
1g
95%
in stock  
$74.00   $52.00
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5g
95%
in stock  
$212.00   $148.00
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Technical Information
Catalog Number:
AA0002Y8
Chemical Name:
N-(tert-Butyl)-3-chloropropanamide
CAS Number:
100859-81-2
Molecular Formula:
C7H14ClNO
Molecular Weight:
163.6452
MDL Number:
MFCD01353566
IUPAC Name:
N-tert-butyl-3-chloropropanamide
InChI:
InChI=1S/C7H14ClNO/c1-7(2,3)9-6(10)4-5-8/h4-5H2,1-3H3,(H,9,10)
InChI Key:
KZXIRPZPFZEMJA-UHFFFAOYSA-N
SMILES:
ClCCC(=O)NC(C)(C)C
NSC Number:
405612
Properties
Computed Properties
 
Complexity:
117  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.076g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
163.645g/mol
Monoisotopic Mass:
163.076g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

Synonyms
 
100859-81-2 
N-tert-butyl-3-chloropropanamide 
DTXSID50324061 
KZXIRPZPFZEMJA-UHFFFAOYSA-N 
N-tert-Butyl-3-chloropropionamide 
ALBB-011969 
ZINC1598652 
7283AC 
BBL037202 
MFCD01353566 
STL508885 
AKOS000144563 
N-(TERT-BUTYL)-3-CHLOROPROPANAMIDE 
NSC-405612 
AJ-27910 
FT-0683422 
W-8223 
I14-26760 
C7H14ClNO 
CID347117 
Propanamide, 3-chloro-N-(1,1-dimethylethyl)- 
NSC405612 
ACMC-20m3wn 
AC1L86JP 
AC1Q3UF6 
SCHEMBL3318249 
CTK0D9914 
Literature
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